4-tert-butyl-N-(6-chloranyl-2-methylsulfanyl-5-phenyl-pyrimidin-4-yl)benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-(6-chloranyl-2-methylsulfanyl-5-phenyl-pyrimidin-4-yl)benzenesulfonamide Openeye Name: 4-tert-butyl-N-(6-chloro-2-methylsulfanyl-5-phenyl-pyrimidin-4-yl)benzenesulfonamide CAS Name: 4-tert-butyl-N-[6-chloro-2-(methylthio)-5-phenyl-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)benzenesulfonamide Traditional Name: 4-tert-butyl-N-[6-chloro-2-(methylthio)-5-phenyl-pyrimidin-4-yl]benzenesulfonamide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)SC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)SC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2S2/c1-21(2,3)15-10-12-16(13-11-15)29(26,27)25-19-17(14-8-6-5-7-9-14)18(22)23-20(24-19)28-4/h5-13H,1-4H3,(H,23,24,25)